catena-Poly[penta­aqua­(μ₃-5-carboxyl­ato-2-oxidopyridinium-1-acetato)barium(II)]

The title complex, [Ba(C₈H₅NO₅)(H₂O)₅]_n, possesses a one-dimensional double-chain structure in which four-membered rings and 18-membered rings are arranged alternately, with the Ba center nine-coordinated by five water molecules and three carboxylate groups from three different ligands. Inter­molecular O—H...O hydrogen bonds and strong π–π inter­actions between pyridine rings extend these chains into a three-dimensional architecture (distance between pairs of adjacent pyridine rings = 3.306 Å; centroid–centroid separation = 3.424 Å).

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](Wav) = 0.000 Å
• R factor = 0.016
• wR factor = 0.042
• Data-to-parameter ratio = 14.7

checkCIF/PLATON results

No syntax errors found



Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.914
            Tmax scaled      0.743 Tmin scaled      0.574

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   0 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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S1. Comment

5-Carboxyl-1-carboxymethyl-2-oxidopyridinium, as a dicarboxylic acid analogue of betaine (He & Feng, 2007), own versatile coordination behavior to metal ions according to the reported complexes, [Cu(ppbet)₄Cl₂](ClO₄)₂]_n (Chen et al., 1998), and [Cu(4-OPA)₂]_n (Zhang et al., 2006). As illustrated in Fig.1, the title complex has a binuclear structure in which the center Ba²⁺ is nine-coordinated by five water molecules and three carboxylic groups from three different CCOP ligands in monodentate and chelate-bridging bidentate modes, forming a tricapped trigonal prism configuration as [Ba(5—OH-BDC)(H₂O)₃] (Shuai et al., 2007). It is interesting that two O atoms of formate groups combine the two Ba²⁺ to form a rhombus while two CCOP ligands adopting the opposite orientations act as bridges to join these rhombuses to be a one-dimensional double chain. It is worth to note intermolecular O—H···O hydrogen bonds are formed to link neighboring chains to form a three-dimensional network. Besides, strong offset face-to-face π-π interactions between pyridinum groups are also involved with the plane-to-plane distance of 3.306 (1) Å and the centroid-centroid distance of 3.424 (3) Å (Fig.2).

Related literature

For related literature, see: Chen et al. (1998); He & Feng (2007); Shuai et al. (2007); Zhang et al. (2006).

S2. Experimental

A solution of BaCl₂ (0.2497 g, 1 mmol) and H₂CCOP (0.2025 g, 1 mmol) was mixed and stirred at room temperature. Then the mixture was stood at ambient temperature. By slow evaporation of the solvent, well formed colourless crystals, suitable for X-ray analysis were obtained after two days.

S3. Refinement

The H atoms bonded to C atoms were positioned geometrically and allowed to ride on their parent atoms, with C—H = 0.93 and 0.97 Å, and U_iso=1.2U_eq (C). The H atoms bonded to O atoms were located in a difference Fourier maps and refined freely.

Computing details

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2002); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Figures

	Fig. 1. A view of the molecule of the title complex, showing the atom-labelling scheme. Displacement ellipsoids are shown at the 30% probability level.
	Fig. 2. A view of the three dimensional framework of the title compound. The O—H···O interactions are depicted by dashed lines.

catena-Poly[pentaaqua(µ₃-5-carboxylato-2-oxidopyridinium-1-αcetato)barium(II)]

Crystal data

[Ba(C8H5NO5)(H2O)5]	Z = 2
Mr = 422.55	F(000) = 412
Triclinic, P1	Dx = 2.061 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.0051 (14) Å	Cell parameters from 11388 reflections
b = 9.7371 (19) Å	θ = 2.0–27.5°
c = 11.201 (2) Å	µ = 2.97 mm^−1
α = 112.88 (3)°	T = 296 K
β = 95.63 (3)°	Block, colourless
γ = 100.18 (3)°	0.16 × 0.14 × 0.10 mm
V = 681.0 (2) Å^3

Data collection

Bruker APEXII area-detector diffractometer	3104 independent reflections
Radiation source: fine-focus sealed tube	2971 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.023
ω scans	θmax = 27.5°, θmin = 2.0°
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996)	h = −9→9
Tmin = 0.628, Tmax = 0.813	k = −12→12
11353 measured reflections	l = −14→14

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.016	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.042	H atoms treated by a mixture of independent and constrained refinement
S = 1.01	w = 1/[σ^2(Fo^2) + (0.0265P)^2 + 0.162P] where P = (Fo^2 + 2Fc^2)/3
3104 reflections	(Δ/σ)max = 0.003
211 parameters	Δρmax = 0.58 e Å^−3
15 restraints	Δρmin = −0.45 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ba	0.600166 (14)	0.757213 (11)	0.602839 (10)	0.02020 (5)
O1	0.4232 (3)	0.72415 (16)	0.35817 (16)	0.0381 (4)
O1W	0.1915 (2)	0.69116 (18)	0.61729 (16)	0.0341 (3)
H1WA	0.134 (4)	0.748 (3)	0.6738 (19)	0.041*
H1WB	0.109 (3)	0.672 (3)	0.5494 (17)	0.041*
O2	0.3509 (2)	0.49709 (16)	0.36455 (14)	0.0304 (3)
O2W	0.8518 (2)	0.62065 (18)	0.43111 (15)	0.0339 (3)
H2WA	0.867 (4)	0.645 (3)	0.371 (2)	0.041*
H2WB	0.825 (4)	0.5260 (19)	0.401 (2)	0.041*
O3	0.0848 (3)	0.28461 (19)	−0.23870 (15)	0.0426 (4)
O3W	0.4998 (3)	0.8244 (2)	0.85769 (16)	0.0448 (4)
H3WA	0.572 (4)	0.856 (3)	0.929 (2)	0.054*
H3WB	0.415 (3)	0.879 (3)	0.871 (3)	0.054*
O4	0.2545 (2)	0.04168 (17)	−0.10934 (15)	0.0330 (3)
O4W	0.8181 (3)	0.9993 (2)	0.5519 (2)	0.0471 (4)
H4WA	0.929 (3)	1.000 (3)	0.545 (3)	0.057*
H4WB	0.805 (4)	1.083 (2)	0.592 (3)	0.057*
O5	−0.0335 (2)	−0.11523 (16)	−0.22398 (15)	0.0321 (3)
O5W	0.4634 (4)	1.0222 (2)	0.6837 (2)	0.0610 (6)
H5WA	0.494 (5)	1.105 (3)	0.677 (3)	0.073*
H5WB	0.404 (5)	1.038 (4)	0.745 (3)	0.073*
N1	0.0942 (2)	0.29402 (17)	−0.03292 (15)	0.0224 (3)
C6	0.3557 (3)	0.5812 (2)	0.30310 (19)	0.0243 (4)
C1	0.1429 (3)	0.3611 (2)	−0.11786 (19)	0.0265 (4)
C7	−0.0354 (3)	0.1403 (2)	−0.0908 (2)	0.0249 (4)
H7A	−0.1350	0.1337	−0.1606	0.030*
H7B	−0.1026	0.1245	−0.0239	0.030*
C4	0.2792 (3)	0.5095 (2)	0.15796 (19)	0.0232 (4)
C2	0.2571 (3)	0.5157 (2)	−0.0563 (2)	0.0276 (4)
H2	0.2876	0.5688	−0.1079	0.033*
C3	0.3217 (3)	0.5864 (2)	0.0757 (2)	0.0265 (4)
H3	0.3953	0.6873	0.1131	0.032*
C8	0.0716 (3)	0.0126 (2)	−0.14697 (18)	0.0227 (4)
C5	0.1647 (3)	0.3642 (2)	0.09955 (18)	0.0227 (4)
H5	0.1336	0.3113	0.1513	0.027*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba	0.02295 (7)	0.01711 (6)	0.01811 (7)	0.00351 (4)	0.00071 (4)	0.00599 (5)
O1	0.0590 (10)	0.0203 (7)	0.0255 (7)	−0.0028 (7)	−0.0107 (7)	0.0091 (6)
O1W	0.0306 (8)	0.0331 (8)	0.0303 (8)	0.0070 (6)	0.0020 (6)	0.0055 (7)
O2	0.0442 (8)	0.0217 (7)	0.0233 (7)	0.0038 (6)	−0.0015 (6)	0.0107 (6)
O2W	0.0442 (9)	0.0325 (8)	0.0268 (8)	0.0097 (7)	0.0085 (7)	0.0134 (7)
O3	0.0636 (11)	0.0370 (9)	0.0190 (8)	0.0019 (8)	0.0028 (7)	0.0084 (7)
O3W	0.0505 (10)	0.0552 (11)	0.0252 (8)	0.0262 (9)	0.0016 (7)	0.0084 (8)
O4	0.0271 (7)	0.0337 (8)	0.0299 (8)	0.0104 (6)	−0.0023 (6)	0.0050 (6)
O4W	0.0495 (10)	0.0400 (9)	0.0489 (11)	0.0050 (8)	0.0125 (9)	0.0169 (9)
O5	0.0356 (8)	0.0198 (7)	0.0314 (8)	0.0032 (6)	−0.0006 (6)	0.0037 (6)
O5W	0.0873 (15)	0.0316 (9)	0.0900 (17)	0.0288 (10)	0.0619 (13)	0.0353 (10)
N1	0.0264 (8)	0.0189 (7)	0.0201 (8)	0.0063 (6)	0.0021 (6)	0.0061 (6)
C6	0.0275 (9)	0.0221 (9)	0.0210 (9)	0.0048 (7)	−0.0005 (7)	0.0082 (7)
C1	0.0333 (10)	0.0279 (10)	0.0184 (9)	0.0105 (8)	0.0036 (8)	0.0086 (8)
C7	0.0244 (9)	0.0206 (9)	0.0237 (10)	0.0029 (7)	0.0002 (7)	0.0048 (7)
C4	0.0256 (9)	0.0213 (9)	0.0214 (9)	0.0067 (7)	0.0019 (7)	0.0077 (7)
C2	0.0339 (10)	0.0281 (10)	0.0254 (10)	0.0083 (8)	0.0065 (8)	0.0152 (8)
C3	0.0271 (10)	0.0222 (9)	0.0299 (11)	0.0052 (7)	0.0025 (8)	0.0113 (8)
C8	0.0280 (9)	0.0236 (9)	0.0163 (9)	0.0066 (7)	0.0019 (7)	0.0084 (7)
C5	0.0275 (9)	0.0221 (9)	0.0198 (9)	0.0083 (7)	0.0034 (7)	0.0091 (7)

Geometric parameters (Å, º)

Ba—O2^i	2.7132 (15)	O4—C8	1.254 (2)
Ba—O5W	2.7609 (19)	O4W—H4WA	0.787 (16)
Ba—O1	2.7673 (17)	O4W—H4WB	0.793 (16)
Ba—O5^ii	2.8129 (19)	O5—C8	1.246 (2)
Ba—O2W	2.8424 (18)	O5—Ba^iii	2.8129 (19)
Ba—O1W	2.8560 (17)	O5W—H5WA	0.831 (17)
Ba—O4W	2.856 (2)	O5W—H5WB	0.812 (17)
Ba—O3W	2.8593 (19)	N1—C5	1.364 (2)
Ba—O2	2.976 (2)	N1—C1	1.384 (3)
Ba—C6	3.241 (2)	N1—C7	1.461 (2)
Ba—Ba^i	4.5027 (17)	C6—C4	1.494 (3)
O1—C6	1.259 (2)	C1—C2	1.429 (3)
O1W—H1WA	0.855 (16)	C7—C8	1.522 (3)
O1W—H1WB	0.844 (16)	C7—H7A	0.9700
O2—C6	1.256 (2)	C7—H7B	0.9700
O2—Ba^i	2.7132 (15)	C4—C5	1.359 (3)
O2W—H2WA	0.804 (16)	C4—C3	1.418 (3)
O2W—H2WB	0.826 (16)	C2—C3	1.354 (3)
O3—C1	1.246 (2)	C2—H2	0.9300
O3W—H3WA	0.818 (17)	C3—H3	0.9300
O3W—H3WB	0.852 (17)	C5—H5	0.9300
O2^i—Ba—O5W	149.47 (5)	C6—Ba—Ba^i	57.41 (5)
O2^i—Ba—O1	118.73 (5)	C6—O1—Ba	100.42 (12)
O5W—Ba—O1	81.72 (7)	Ba—O1W—H1WA	126.3 (17)
O2^i—Ba—O5^ii	81.75 (5)	Ba—O1W—H1WB	117.4 (17)
O5W—Ba—O5^ii	96.55 (7)	H1WA—O1W—H1WB	97.3 (19)
O1—Ba—O5^ii	140.28 (5)	C6—O2—Ba^i	153.83 (13)
O2^i—Ba—O2W	71.99 (5)	C6—O2—Ba	90.53 (11)
O5W—Ba—O2W	137.98 (5)	Ba^i—O2—Ba	104.56 (5)
O1—Ba—O2W	75.98 (6)	Ba—O2W—H2WA	118.5 (19)
O5^ii—Ba—O2W	79.65 (5)	Ba—O2W—H2WB	114.0 (19)
O2^i—Ba—O1W	91.48 (5)	H2WA—O2W—H2WB	107 (2)
O5W—Ba—O1W	69.51 (6)	Ba—O3W—H3WA	129 (2)
O1—Ba—O1W	78.36 (6)	Ba—O3W—H3WB	111 (2)
O5^ii—Ba—O1W	138.31 (5)	H3WA—O3W—H3WB	104 (2)
O2W—Ba—O1W	137.03 (5)	Ba—O4W—H4WA	118 (2)
O2^i—Ba—O4W	139.77 (5)	Ba—O4W—H4WB	118 (2)
O5W—Ba—O4W	64.80 (6)	H4WA—O4W—H4WB	111 (2)
O1—Ba—O4W	73.10 (6)	C8—O5—Ba^iii	139.64 (13)
O5^ii—Ba—O4W	70.48 (6)	Ba—O5W—H5WA	135 (2)
O2W—Ba—O4W	74.76 (6)	Ba—O5W—H5WB	116 (2)
O1W—Ba—O4W	128.59 (6)	H5WA—O5W—H5WB	106 (2)
O2^i—Ba—O3W	79.46 (6)	C5—N1—C1	122.79 (16)
O5W—Ba—O3W	70.65 (6)	C5—N1—C7	119.92 (16)
O1—Ba—O3W	137.63 (6)	C1—N1—C7	117.28 (16)
O5^ii—Ba—O3W	76.00 (6)	O2—C6—O1	122.98 (18)
O2W—Ba—O3W	144.67 (5)	O2—C6—C4	119.01 (17)
O1W—Ba—O3W	62.34 (6)	O1—C6—C4	118.01 (17)
O4W—Ba—O3W	119.19 (6)	O2—C6—Ba	66.66 (10)
O2^i—Ba—O2	75.44 (5)	O1—C6—Ba	57.12 (11)
O5W—Ba—O2	114.74 (7)	C4—C6—Ba	169.13 (13)
O1—Ba—O2	45.08 (4)	O3—C1—N1	118.76 (18)
O5^ii—Ba—O2	147.62 (5)	O3—C1—C2	125.75 (19)
O2W—Ba—O2	71.66 (5)	N1—C1—C2	115.48 (17)
O1W—Ba—O2	65.78 (5)	N1—C7—C8	113.86 (16)
O4W—Ba—O2	114.43 (5)	N1—C7—H7A	108.8
O3W—Ba—O2	120.87 (6)	C8—C7—H7A	108.8
O2^i—Ba—C6	96.73 (5)	N1—C7—H7B	108.8
O5W—Ba—C6	99.81 (7)	C8—C7—H7B	108.8
O1—Ba—C6	22.46 (4)	H7A—C7—H7B	107.7
O5^ii—Ba—C6	148.80 (5)	C5—C4—C3	117.30 (18)
O2W—Ba—C6	70.40 (5)	C5—C4—C6	119.97 (18)
O1W—Ba—C6	72.70 (6)	C3—C4—C6	122.73 (17)
O4W—Ba—C6	92.84 (6)	C3—C2—C1	121.25 (18)
O3W—Ba—C6	134.65 (6)	C3—C2—H2	119.4
O2—Ba—C6	22.81 (4)	C1—C2—H2	119.4
O2^i—Ba—Ba^i	39.76 (3)	C2—C3—C4	121.21 (18)
O5W—Ba—Ba^i	142.72 (5)	C2—C3—H3	119.4
O1—Ba—Ba^i	79.81 (5)	C4—C3—H3	119.4
O5^ii—Ba—Ba^i	118.14 (4)	O5—C8—O4	125.32 (19)
O2W—Ba—Ba^i	66.78 (4)	O5—C8—C7	116.23 (17)
O1W—Ba—Ba^i	75.19 (5)	O4—C8—C7	118.40 (17)
O4W—Ba—Ba^i	137.17 (4)	C4—C5—N1	121.72 (18)
O3W—Ba—Ba^i	103.23 (5)	C4—C5—H5	119.1
O2—Ba—Ba^i	35.68 (3)	N1—C5—H5	119.1
O2^i—Ba—O1—C6	12.49 (15)	O5W—Ba—C6—O1	36.77 (14)
O5W—Ba—O1—C6	−143.41 (14)	O5^ii—Ba—C6—O1	−83.81 (16)
O5^ii—Ba—O1—C6	126.30 (13)	O2W—Ba—C6—O1	−100.86 (14)
O2W—Ba—O1—C6	72.47 (14)	O1W—Ba—C6—O1	101.56 (14)
O1W—Ba—O1—C6	−72.75 (14)	O4W—Ba—C6—O1	−28.14 (14)
O4W—Ba—O1—C6	150.51 (15)	O3W—Ba—C6—O1	109.20 (15)
O3W—Ba—O1—C6	−94.44 (15)	O2—Ba—C6—O1	170.0 (2)
O2—Ba—O1—C6	−5.47 (12)	Ba^i—Ba—C6—O1	−175.26 (15)
Ba^i—Ba—O1—C6	4.06 (13)	O2^i—Ba—C6—C4	−102.6 (7)
O2^i—Ba—O2—C6	−158.39 (15)	O5W—Ba—C6—C4	103.2 (7)
O5W—Ba—O2—C6	52.26 (13)	O1—Ba—C6—C4	66.4 (7)
O1—Ba—O2—C6	5.39 (12)	O5^ii—Ba—C6—C4	−17.4 (7)
O5^ii—Ba—O2—C6	−111.73 (13)	O2W—Ba—C6—C4	−34.5 (7)
O2W—Ba—O2—C6	−82.90 (12)	O1W—Ba—C6—C4	167.9 (7)
O1W—Ba—O2—C6	103.21 (13)	O4W—Ba—C6—C4	38.3 (7)
O4W—Ba—O2—C6	−19.94 (13)	O3W—Ba—C6—C4	175.6 (7)
O3W—Ba—O2—C6	133.67 (12)	O2—Ba—C6—C4	−123.6 (7)
Ba^i—Ba—O2—C6	−158.39 (15)	Ba^i—Ba—C6—C4	−108.9 (7)
O2^i—Ba—O2—Ba^i	0.0	C5—N1—C1—O3	174.46 (19)
O5W—Ba—O2—Ba^i	−149.35 (5)	C7—N1—C1—O3	−4.3 (3)
O1—Ba—O2—Ba^i	163.78 (9)	C5—N1—C1—C2	−5.9 (3)
O5^ii—Ba—O2—Ba^i	46.66 (10)	C7—N1—C1—C2	175.29 (17)
O2W—Ba—O2—Ba^i	75.49 (6)	C5—N1—C7—C8	−95.9 (2)
O1W—Ba—O2—Ba^i	−98.40 (6)	C1—N1—C7—C8	82.9 (2)
O4W—Ba—O2—Ba^i	138.45 (6)	O2—C6—C4—C5	15.6 (3)
O3W—Ba—O2—Ba^i	−67.94 (7)	O1—C6—C4—C5	−164.69 (19)
C6—Ba—O2—Ba^i	158.39 (15)	Ba—C6—C4—C5	134.7 (6)
Ba^i—O2—C6—O1	−136.1 (2)	O2—C6—C4—C3	−164.05 (19)
Ba—O2—C6—O1	−10.0 (2)	O1—C6—C4—C3	15.7 (3)
Ba^i—O2—C6—C4	43.6 (4)	Ba—C6—C4—C3	−45.0 (8)
Ba—O2—C6—C4	169.66 (16)	O3—C1—C2—C3	−176.6 (2)
Ba^i—O2—C6—Ba	−126.1 (3)	N1—C1—C2—C3	3.8 (3)
Ba—O1—C6—O2	11.0 (2)	C1—C2—C3—C4	0.3 (3)
Ba—O1—C6—C4	−168.71 (15)	C5—C4—C3—C2	−2.5 (3)
O2^i—Ba—C6—O2	21.03 (14)	C6—C4—C3—C2	177.12 (19)
O5W—Ba—C6—O2	−133.21 (12)	Ba^iii—O5—C8—O4	−157.84 (15)
O1—Ba—C6—O2	−170.0 (2)	Ba^iii—O5—C8—C7	24.9 (3)
O5^ii—Ba—C6—O2	106.21 (13)	N1—C7—C8—O5	−163.47 (17)
O2W—Ba—C6—O2	89.16 (12)	N1—C7—C8—O4	19.0 (3)
O1W—Ba—C6—O2	−68.42 (12)	C3—C4—C5—N1	0.5 (3)
O4W—Ba—C6—O2	161.88 (12)	C6—C4—C5—N1	−179.13 (17)
O3W—Ba—C6—O2	−60.78 (14)	C1—N1—C5—C4	3.9 (3)
Ba^i—Ba—C6—O2	14.77 (10)	C7—N1—C5—C4	−177.34 (18)
O2^i—Ba—C6—O1	−168.99 (14)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x+1, y+1, z+1; (iii) x−1, y−1, z−1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O5^iv	0.86 (2)	2.02 (2)	2.863 (2)	169 (2)
O1W—H1WB···O2W^v	0.84 (2)	1.99 (2)	2.796 (2)	160 (2)
O2W—H2WA···O3^vi	0.80 (2)	1.90 (2)	2.698 (2)	176 (3)
O2W—H2WB···O1W^i	0.83 (2)	2.03 (2)	2.822 (2)	162 (3)
O3W—H3WA···O4^i	0.82 (2)	2.02 (2)	2.829 (3)	174 (3)
O3W—H3WB···O4^iv	0.85 (2)	2.06 (2)	2.893 (2)	167 (3)
O4W—H4WA···O4W^vii	0.79 (2)	2.17 (2)	2.903 (4)	156 (3)
O4W—H4WB···O3^ii	0.79 (2)	2.51 (3)	2.992 (3)	120 (2)
O4W—H4WB···O1^viii	0.79 (2)	2.61 (2)	3.310 (3)	149 (3)
O5W—H5WA···O1^viii	0.83 (2)	1.87 (2)	2.689 (2)	172 (3)
O5W—H5WB···O4^iv	0.81 (2)	2.02 (2)	2.823 (3)	171 (3)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x+1, y+1, z+1; (iv) x, y+1, z+1; (v) x−1, y, z; (vi) −x+1, −y+1, −z; (vii) −x+2, −y+2, −z+1; (viii) −x+1, −y+2, −z+1.